CID 135600434

832739-70-5

Structural Information

Molecular Formula
C8H10F3N3
SMILES
CC1=NN2C(CCNC2=C1)C(F)(F)F
InChI
InChI=1S/C8H10F3N3/c1-5-4-7-12-3-2-6(8(9,10)11)14(7)13-5/h4,6,12H,2-3H2,1H3
InChIKey
TXOWANFTXFFOJK-UHFFFAOYSA-N
Compound name
2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

205.08269 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08997 142.7
[M+Na]+ 228.07191 152.0
[M-H]- 204.07541 138.0
[M+NH4]+ 223.11651 160.1
[M+K]+ 244.04585 148.0
[M+H-H2O]+ 188.07995 133.2
[M+HCOO]- 250.08089 155.1
[M+CH3COO]- 264.09654 182.2
[M+Na-2H]- 226.05736 146.7
[M]+ 205.08214 135.4
[M]- 205.08324 135.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe